SCHEMBL8310068

SCHEMBL8310068

CC(C)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12131750 0.90 ERCC1 (0.70) MEN1KMT2AERCC1ERCC4CYP2C19
SCHEMBL11294240 0.87 MEN1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2CYP2C19
SCHEMBL20438751 0.86 CARM1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2CYP2C19
SCHEMBL11733691 0.86 MEN1 (0.59) MEN1KMT2ARAB9ASMN1; SMN2CYP2C19
SCHEMBL13169668 0.85 ERCC1 (0.60) MEN1KMT2AERCC1ERCC4RAB9A
SCHEMBL24558042 0.85 ERCC1 (0.64) MEN1KMT2AERCC1ERCC4CYP2C19
Bromide SCHEMBL11102143 0.84 CARM1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2CYP2C19
SCHEMBL5023255 0.84 TSHR (0.60) MEN1KMT2ARAB9ASMN1; SMN2CYP2C19
SCHEMBL15038484 0.83 ALDH1A1 (0.50) MEN1KMT2AERCC1ERCC4RAB9A
SCHEMBL12134066 0.83 ERCC1 (0.62) MEN1KMT2AERCC1ERCC4RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190327969-A1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9656962-B2 Ring-contracted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed
EP-0356026-A2 Azo amide compounds WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-02-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4828/4885KMT2A 4142/4885ERCC1 4541/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4874/4885KMT2A 3551/4885ERCC1 3805/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 MEN1 4167/4885KMT2A 4480/4885ERCC1 4490/4885
US-20190327969-A1 HERBICIDES DDT, HPD, PDXK MEN1 4350/4885KMT2A 884/4885ERCC1 3780/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MEN1 4760/4885KMT2A 4618/4885ERCC1 4245/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO MEN1 1064/4885KMT2A 3392/4885ERCC1 3598/4885
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 MEN1 4541/4885KMT2A 3126/4885ERCC1 1996/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.